CAS RN: 2784-50-1
L-GLUTAMIC-2,3,3,4,4-D5 ACID
Product Availability
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3 package records2 with current stock2 grade groups
- Product code: starshine_CAS2784-50-1
- Purity/Analytical Methods: >99.0%
2784-50-1 / (2S)-2-amino-2,3,3,4,4-pentadeuteriopentanedioic acid
Basic Information
CAS
2784-50-1
Multi CAS
Yes
Molecular Formula
C5H9NO4
Molecular Weight
152.160000
Exact Mass
152.084542
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D2,3D
InChIKey
WHUUTDBJXJRKMK-NKXUJHECSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.48
TPSA
100.62
LogP / Solubility
WLOGP
-0.74
MLOGP
-0.65
XLogP3
-3.7
Consensus LogP
-1.7
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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